Sulfuric Acid

Sulfuric Acid

SCHEMBL7344173

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1NC(=O)c1ccccc1OCCCN.O=S(=O)(O)O

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Sulfuric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA1D known ✓ P25100 1/20 0.35
ADRA1A known ✓ P35348 1/20 0.35
ADRA1B known ✓ P35368 1/20 0.35
AVPR2 P30518 5/20 0.41
AVPR1A P37288 5/20 0.41
AVPR1B P47901 4/20 0.41
CCR8 P51685 2/20 0.38
BRPF1 P55201 2/20 0.36
BRD4 O60885 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAP3K7 O43318 2/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7336265 0.97 AVPR2 (0.42) AVPR2AVPR1AAVPR1BCCR8BRPF1
Hydrochloric Acid SCHEMBL7345642 0.97 AVPR2 (0.42) AVPR2AVPR1AAVPR1BCCR8BRPF1
Hydrochloric Acid SCHEMBL7773784 0.97 AVPR2 (0.42) AVPR2AVPR1AAVPR1BCCR8BRPF1
SCHEMBL7336166 0.96 AVPR2 (0.42) AVPR2AVPR1AAVPR1BCCR8BRPF1
Hydrochloric Acid SCHEMBL7335182 0.95 AVPR2 (0.42) AVPR2AVPR1AAVPR1BCCR8BRPF1
SCHEMBL7340231 0.95 AVPR2 (0.45) AVPR2AVPR1AAVPR1BBRPF1BRD4
Hydrochloric Acid SCHEMBL7348666 0.94 AVPR2 (0.44) AVPR2AVPR1AAVPR1BBRPF1BRD4
Cadaverine Tartrate SCHEMBL7347950 0.93 AVPR2 (0.41) AVPR2AVPR1AAVPR1BBRPF1BRD4
SCHEMBL7338927 0.93 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMEN1KMT2A
SCHEMBL7346393 0.92 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832061-B1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
US-6054457-A Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-25 US disclosed
EP-0832061-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-04-01 EP disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed